N-[(4-bromanyl-3-nitro-phenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-1-(1,5-dimethyl-4-pyrazolyl)ethanamine IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine Traditional Name: (4-bromo-3-nitro-benzyl)-[1-(1,5-dimethylpyrazol-4-yl)ethyl]amine Formula: C14H17BrN4O2 MolecularWeight: 353.21438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(C)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)C(C)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H17BrN4O2/c1-9(12-8-17-18(3)10(12)2)16-7-11-4-5-13(15)14(6-11)19(20)21/h4-6,8-9,16H,7H2,1-3H3